Compound Detail
CHEMBL368196
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Basic Information
| ChEMBL ID | CHEMBL368196 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDPXEJGRLUVMJN-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
244.7
MW (Da)
3.84
ALogP
2
HBA
1
HBD
38.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 8.19 | 8.19 | 6.5 | 1 |
| Butyrylcholinesterase CHEMBL5077 | IC50 | 7.82 | 7.82 | 15.3 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 7.38 | 7.375 | 42.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 6.52 | nM | 8.19 | Inhibition of acetylcholinesterase (AChE) in electric eel (type V-S) by modified... | - |
| Butyrylcholinesterase | IC50 | = | 15.3 | nM | 7.82 | Inhibition of (BChE) Butyrylcholinesterase of horse serum | - |
| Acetylcholinesterase | IC50 | = | 42.2 | nM | 7.38 | Inhibition of acetylcholinesterase (AChE) of human red blood cell (type XIII) by... | - |
| Acetylcholinesterase | IC50 | = | 42.66 | nM | 7.37 | In vitro inhibitory activity against human erythrocyte acetylcholinesterase | 15317459 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80545-4 | Acetylcholinesterase | 2 |
| - | 10.1016/S0960-894X(00)80545-4 | Butyrylcholinesterase | 1 |
| 15317459 | 10.1021/jm049877p | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine